ChemDiv1_002847
TL;DR: ChemDiv1_002847 (CAS 313396-20-2) is a chemical compound with molecular formula C18H13Cl2F3N4O2 and molecular weight 444.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
Also Known As: ChemDiv1_002847, BAS 01058787, AB00098553-01, 3-chloro-5-(4-chlorophenyl)-2-(4-morpholinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, AE-848/13196017
| Molecular Formula | C18H13Cl2F3N4O2 |
|---|---|
| Molecular Weight | 444.04 g/mol |
| LogP | 4.1943 |
| Topological Polar Surface Area | 59.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 444.03677 |
| Heavy Atoms | 29 |
| Complexity | 1077.3851 |
Chemical Identifiers
| CAS Number | 313396-20-2 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=C(C=C4)Cl)C(F)(F)F |
Product Overview
ChemDiv1_002847 (CAS 313396-20-2), with molecular formula C18H13Cl2F3N4O2 and molecular weight 444.04 g/mol. IUPAC: [3-chloro-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of ChemDiv1_002847
Property Insights of ChemDiv1_002847
The XLogP value of 4.1943 indicates that ChemDiv1_002847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.73 Ų, ChemDiv1_002847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_002847 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002847?
The CAS number of ChemDiv1_002847 is 313396-20-2.
What is the molecular formula of ChemDiv1_002847?
The molecular formula of ChemDiv1_002847 is C18H13Cl2F3N4O2.
What is the molecular weight of ChemDiv1_002847?
The molecular weight of ChemDiv1_002847 is 444.04 g/mol.
Where can I buy ChemDiv1_002847?
You can request a quote for ChemDiv1_002847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002847?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.